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Target
Tyrosine-protein kinase BTK
Ligand
BDBM467833
Substrate
n/a
Meas. Tech.
TBD
IC50
10.0±n/a nM
Citation
 Arora, N; Bacani, GM; Barbay, JK; Bembenek, SD; Cai, M; Chen, W; Deckhut, CP; Edwards, JP; Ghosh, B; Hao, B; Kreutter, KD; Li, G; Tichenor, MS; Venable, JD; Wei, J; Wiener, JJ; Wu, Y; Zhu, Y; Zhang, F; Zhang, Z; Xiao, K Inhibitors of Bruton's tyrosine kinase and method of their use US Patent  US10800792 Publication Date 10/13/2020 
Target
Name:
Tyrosine-protein kinase BTK
Synonyms:
AGMX1 | ATK | Agammaglobulinaemia tyrosine kinase | Agammaglobulinemia tyrosine kinase | B cell progenitor kinase | B-cell progenitor kinase | BPK | BTK | BTK_HUMAN | Bruton tyrosine kinase | Tyrosine Kinase BTK | Tyrosine-protein kinase (BTK) | Tyrosine-protein kinase BTK (BTK)
Type:
Enzyme
Mol. Mass.:
76289.95
Organism:
Homo sapiens (Human)
Description:
Q06187
Residue:
659
Sequence:
MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES
  
Inhibitor
Name:
BDBM467833
Synonyms:
(R)-5-(*S)-(2-Methyl-4-phenoxyphenyl)-N-(1-(3- (methylsulfonyl)propanoyl)pyrrolidin-3-yl)-4-oxo-4,5-dihydro-3H-1- thia-3,5,8-triazaacenaphthylene-2-carboxamide; | US10800792, Example 494
Type:
Small organic molecule
Emp. Form.:
C30H29N5O6S2
Mol. Mass.:
619.711
SMILES:
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)CCS(C)(=O)=O)c([nH]c1=O)c23 |r,wD:25.26,(-3.61,5.23,;-4.94,4.46,;-6.27,5.23,;-7.61,4.46,;-8.94,5.23,;-10.27,4.46,;-11.61,5.23,;-12.94,4.46,;-12.94,2.92,;-11.61,2.15,;-10.27,2.92,;-7.61,2.92,;-6.27,2.15,;-4.94,2.92,;-3.61,2.15,;-3.61,.61,;-4.94,-.16,;-4.94,-1.7,;-3.61,-2.47,;-2.27,-1.7,;-.78,-2.1,;.05,-.81,;1.59,-.81,;2.36,.52,;2.36,-2.15,;3.9,-2.15,;4.81,-.9,;6.27,-1.38,;6.27,-2.92,;4.81,-3.39,;7.61,-3.69,;7.61,-5.23,;8.94,-2.92,;10.27,-3.69,;11.61,-2.92,;12.94,-3.69,;11.61,-1.38,;11.61,-4.46,;-.94,.61,;-.94,2.15,;-2.27,2.92,;-2.27,4.46,;-2.27,-.16,)|
Structure:
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